U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C25H26N6O3
Molecular Weight 458.5123
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESBUTYL-(3-CARBOXY PROPYL)IRBESARTAN

SMILES

OC(=O)CCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=C(C=CC=C4)C5=NN=NN5

InChI

InChIKey=SQPSUXCOWHFKKF-UHFFFAOYSA-N
InChI=1S/C25H26N6O3/c32-22(33)9-5-8-21-26-25(14-3-4-15-25)24(34)31(21)16-17-10-12-18(13-11-17)19-6-1-2-7-20(19)23-27-29-30-28-23/h1-2,6-7,10-13H,3-5,8-9,14-16H2,(H,32,33)(H,27,28,29,30)

HIDE SMILES / InChI

Molecular Formula C25H26N6O3
Molecular Weight 458.5123
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:10:36 UTC 2023
Edited
by admin
on Sat Dec 16 10:10:36 UTC 2023
Record UNII
99LG7Y6JZC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESBUTYL-(3-CARBOXY PROPYL)IRBESARTAN
Common Name English
IRBESARTAN METABOLITE 3
Common Name English
1,3-DIAZASPIRO(4.4)NON-1-ENE-2-BUTANOIC ACID, 4-OXO-3-((2'-(2H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-
Systematic Name English
DESBUTYL-(4-HYDROXY-4-OXO-BUTYL)IRBESARTAN
Systematic Name English
Code System Code Type Description
FDA UNII
99LG7Y6JZC
Created by admin on Sat Dec 16 10:10:36 UTC 2023 , Edited by admin on Sat Dec 16 10:10:36 UTC 2023
PRIMARY
CAS
208923-63-1
Created by admin on Sat Dec 16 10:10:36 UTC 2023 , Edited by admin on Sat Dec 16 10:10:36 UTC 2023
PRIMARY
PUBCHEM
11676932
Created by admin on Sat Dec 16 10:10:36 UTC 2023 , Edited by admin on Sat Dec 16 10:10:36 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE -> PARENT
about 9% of the plasma radioactivity at 6 hr; was found to be more than 1000-fold less potent than irbesartan as an inhibitor
MAJOR
PLASMA